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DocumentationIdentifier: MM460366
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM460366 |
| SMILES |
C#CC1C(C)N1CCC=C
|
| InChIKey |
QKFYMDOIZKABPY-UHFFFAOYSA-N
|
| MW [Da] |
135.21
Automatically obtained from RDkit software. |
| LogP |
1.27
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM460372
Similarity: 0.8239
Similarity to MM460372
| Tanimoto metric | 0.8239 |
|---|---|
| Cosine metric | 0.9048 |
| Dice metric | 0.9034 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM460334
Similarity: 0.7751
Similarity to MM460334
| Tanimoto metric | 0.7751 |
|---|---|
| Cosine metric | 0.8735 |
| Dice metric | 0.8733 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM216888
Similarity: 0.7582
Similarity to MM216888
| Tanimoto metric | 0.7582 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8625 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+212 more
